SCHEMBL6614951

SCHEMBL6614951

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CC(=O)N(Cc4ccccc4)C(=O)N3C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.51
SLC6A4 P31645 5/20 0.51
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
HRH1 P35367 5/20 0.38
CCR3 P51677 5/20 0.38
KCNH2 Q12809 3/20 0.38
MAOB P27338 1/20 0.37
ACHE P22303 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6616119 0.92 HTR1A (0.62) HTR1ASLC6A4MEN1POLBKMT2A
SCHEMBL6614593 0.91 HTR1A (0.50) HTR1ASLC6A4CYP2D6MEN1POLB
SCHEMBL6614573 0.90 SLC6A4 (0.51) HTR1ASLC6A4CYP2D6MEN1POLB
SCHEMBL6412592 0.88 HTR1A (0.52) HTR1ASLC6A4CYP2D6MEN1POLB
SCHEMBL6617668 0.88 SLC6A4 (0.46) HTR1ASLC6A4ALDH1A1ATMCCR3
SCHEMBL6617633 0.87 HTR1A (0.47) HTR1ASLC6A4CYP2D6HRH1CCR3
SCHEMBL6416250 0.87 HTR1A (0.52) HTR1ASLC6A4CYP2D6MEN1POLB
SCHEMBL6615215 0.86 SLC6A4 (0.45) HTR1ASLC6A4MEN1KMT2AALDH1A1
SCHEMBL6613554 0.85 HTR1A (0.49) HTR1ASLC6A4CYP2D6MEN1POLB
SCHEMBL6417878 0.84 HTR1A (0.48) HTR1ASLC6A4CYP2D6MEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed